SCHEMBL9900903

SCHEMBL9900903

Cc1cnc(C(C)C)nc1-c1cc(-n2c(C)c(C)c(OCc3ccc(F)cc3F)c(Cl)c2=O)ccn1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.46
MAPK14 Q16539 16/20 0.40
IDH1 O75874 1/20 0.35
MAPKAPK5 Q8IW41 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9900988 0.94 MAPKAPK2 (0.41) MAPKAPK2MAPK14IDH1
SCHEMBL9902403 0.93 MAPK14 (0.47) MAPKAPK2MAPK14
SCHEMBL9902573 0.92 MAPKAPK2 (0.45) MAPKAPK2MAPK14
SCHEMBL9112050 0.87 MAPKAPK2 (0.59) MAPKAPK2MAPK14MAPKAPK5
SCHEMBL9901165 0.85 MAPK14 (0.48) MAPKAPK2MAPK14
SCHEMBL9110519 0.85 MAPK14 (0.52) MAPKAPK2MAPK14
SCHEMBL9901763 0.82 MAOB (0.35)
SCHEMBL9905052 0.82 BRD4 (0.32)
SCHEMBL9112180 0.82 MAPK14 (0.64) MAPK14
SCHEMBL9905168 0.81 NMT1 (0.40)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648516-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS Confluence Life Sciences, Inc. (US) 2013-10-16 EP claimed
WO-2012078684-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO claimed